USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 168:sc= -3.71! (180deg=-4.66!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 141:sc= 0.661 (180deg=0.072) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 20 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-5.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -7.71! C(o=-7.7!,f=-19!) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0.356 (180deg=0.335) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00262 USER MOD Single : A 87 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 16.509 4.453 -2.341 1.00 0.00 N ATOM 2 CA GLY A -2 16.381 5.879 -2.091 1.00 0.00 C ATOM 3 C GLY A -2 15.440 6.531 -3.106 1.00 0.00 C ATOM 4 O GLY A -2 14.767 5.839 -3.869 1.00 0.00 O ATOM 0 H1 GLY A -2 17.494 4.160 -2.183 1.00 0.00 H new ATOM 0 H2 GLY A -2 15.884 3.930 -1.695 1.00 0.00 H new ATOM 0 H3 GLY A -2 16.240 4.247 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A -2 16.003 6.042 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A -2 17.362 6.351 -2.144 1.00 0.00 H new ATOM 8 N SER A -1 15.423 7.856 -3.083 1.00 0.00 N ATOM 9 CA SER A -1 14.576 8.609 -3.991 1.00 0.00 C ATOM 10 C SER A -1 15.063 8.431 -5.431 1.00 0.00 C ATOM 11 O SER A -1 15.816 9.258 -5.942 1.00 0.00 O ATOM 12 CB SER A -1 14.552 10.093 -3.619 1.00 0.00 C ATOM 13 OG SER A -1 14.375 10.290 -2.219 1.00 0.00 O ATOM 0 H SER A -1 15.983 8.427 -2.449 1.00 0.00 H new ATOM 0 HA SER A -1 13.559 8.224 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A -1 15.484 10.561 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.746 10.589 -4.160 1.00 0.00 H new ATOM 0 HG SER A -1 14.367 11.250 -2.022 1.00 0.00 H new ATOM 19 N HIS A 0 14.612 7.346 -6.044 1.00 0.00 N ATOM 20 CA HIS A 0 14.993 7.048 -7.414 1.00 0.00 C ATOM 21 C HIS A 0 14.197 5.842 -7.917 1.00 0.00 C ATOM 22 O HIS A 0 14.681 5.079 -8.752 1.00 0.00 O ATOM 23 CB HIS A 0 16.506 6.849 -7.527 1.00 0.00 C ATOM 24 CG HIS A 0 17.166 7.733 -8.558 1.00 0.00 C ATOM 25 ND1 HIS A 0 16.960 7.581 -9.918 1.00 0.00 N ATOM 26 CD2 HIS A 0 18.030 8.779 -8.414 1.00 0.00 C ATOM 27 CE1 HIS A 0 17.672 8.499 -10.554 1.00 0.00 C ATOM 28 NE2 HIS A 0 18.335 9.240 -9.620 1.00 0.00 N ATOM 0 H HIS A 0 13.986 6.663 -5.617 1.00 0.00 H new ATOM 0 HA HIS A 0 14.748 7.895 -8.055 1.00 0.00 H new ATOM 0 HB2 HIS A 0 16.961 7.040 -6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 0 16.708 5.807 -7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 0 18.402 9.166 -7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 0 17.719 8.637 -11.624 1.00 0.00 H new ATOM 0 HE2 HIS A 0 18.962 10.020 -9.817 1.00 0.00 H new ATOM 36 N MET A 1 12.990 5.707 -7.388 1.00 0.00 N ATOM 37 CA MET A 1 12.123 4.607 -7.773 1.00 0.00 C ATOM 38 C MET A 1 11.788 4.669 -9.264 1.00 0.00 C ATOM 39 O MET A 1 12.356 5.476 -9.999 1.00 0.00 O ATOM 40 CB MET A 1 10.830 4.666 -6.956 1.00 0.00 C ATOM 41 CG MET A 1 11.106 4.407 -5.473 1.00 0.00 C ATOM 42 SD MET A 1 12.066 2.914 -5.282 1.00 0.00 S ATOM 43 CE MET A 1 10.779 1.692 -5.474 1.00 0.00 C ATOM 0 H MET A 1 12.592 6.342 -6.696 1.00 0.00 H new ATOM 0 HA MET A 1 12.646 3.671 -7.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.363 5.643 -7.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.124 3.926 -7.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.643 5.252 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.165 4.316 -4.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.228 0.706 -5.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.141 1.693 -4.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.181 1.929 -6.354 1.00 0.00 H new ATOM 53 N ASP A 2 10.866 3.806 -9.667 1.00 0.00 N ATOM 54 CA ASP A 2 10.449 3.753 -11.058 1.00 0.00 C ATOM 55 C ASP A 2 9.156 2.942 -11.167 1.00 0.00 C ATOM 56 O ASP A 2 8.858 2.122 -10.300 1.00 0.00 O ATOM 57 CB ASP A 2 11.509 3.070 -11.925 1.00 0.00 C ATOM 58 CG ASP A 2 12.955 3.438 -11.589 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.436 2.951 -10.543 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.547 4.199 -12.385 1.00 0.00 O ATOM 0 H ASP A 2 10.397 3.139 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 2 10.302 4.776 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.393 1.990 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.319 3.321 -12.969 1.00 0.00 H new ATOM 65 N LEU A 3 8.422 3.201 -12.239 1.00 0.00 N ATOM 66 CA LEU A 3 7.167 2.506 -12.473 1.00 0.00 C ATOM 67 C LEU A 3 7.440 1.008 -12.626 1.00 0.00 C ATOM 68 O LEU A 3 6.740 0.183 -12.041 1.00 0.00 O ATOM 69 CB LEU A 3 6.427 3.121 -13.662 1.00 0.00 C ATOM 70 CG LEU A 3 5.483 4.280 -13.338 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.264 3.791 -12.553 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.223 5.402 -12.606 1.00 0.00 C ATOM 0 H LEU A 3 8.672 3.883 -12.955 1.00 0.00 H new ATOM 0 HA LEU A 3 6.501 2.624 -11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.166 3.471 -14.383 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.851 2.336 -14.152 1.00 0.00 H new ATOM 0 HG LEU A 3 5.117 4.695 -14.277 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.609 4.635 -12.335 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.722 3.054 -13.145 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.592 3.336 -11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.529 6.214 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.637 5.017 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.031 5.775 -13.235 1.00 0.00 H new ATOM 84 N GLU A 4 8.459 0.702 -13.416 1.00 0.00 N ATOM 85 CA GLU A 4 8.832 -0.682 -13.653 1.00 0.00 C ATOM 86 C GLU A 4 9.235 -1.356 -12.340 1.00 0.00 C ATOM 87 O GLU A 4 8.853 -2.496 -12.081 1.00 0.00 O ATOM 88 CB GLU A 4 9.958 -0.777 -14.685 1.00 0.00 C ATOM 89 CG GLU A 4 9.394 -0.926 -16.099 1.00 0.00 C ATOM 90 CD GLU A 4 10.117 -2.038 -16.863 1.00 0.00 C ATOM 91 OE1 GLU A 4 10.078 -3.185 -16.368 1.00 0.00 O ATOM 92 OE2 GLU A 4 10.691 -1.715 -17.925 1.00 0.00 O ATOM 0 H GLU A 4 9.038 1.389 -13.900 1.00 0.00 H new ATOM 0 HA GLU A 4 7.966 -1.207 -14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.582 0.115 -14.631 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.598 -1.628 -14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.328 -1.149 -16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.497 0.016 -16.637 1.00 0.00 H new ATOM 99 N THR A 5 10.001 -0.622 -11.545 1.00 0.00 N ATOM 100 CA THR A 5 10.459 -1.135 -10.265 1.00 0.00 C ATOM 101 C THR A 5 9.279 -1.311 -9.308 1.00 0.00 C ATOM 102 O THR A 5 9.220 -2.286 -8.561 1.00 0.00 O ATOM 103 CB THR A 5 11.536 -0.187 -9.735 1.00 0.00 C ATOM 104 OG1 THR A 5 12.750 -0.915 -9.896 1.00 0.00 O ATOM 105 CG2 THR A 5 11.430 0.032 -8.224 1.00 0.00 C ATOM 0 H THR A 5 10.316 0.323 -11.763 1.00 0.00 H new ATOM 0 HA THR A 5 10.901 -2.126 -10.370 1.00 0.00 H new ATOM 0 HB THR A 5 11.460 0.772 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.502 -0.372 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.217 0.712 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.457 0.462 -7.986 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.540 -0.923 -7.709 1.00 0.00 H new ATOM 113 N LEU A 6 8.367 -0.351 -9.361 1.00 0.00 N ATOM 114 CA LEU A 6 7.191 -0.387 -8.508 1.00 0.00 C ATOM 115 C LEU A 6 6.447 -1.705 -8.728 1.00 0.00 C ATOM 116 O LEU A 6 5.891 -2.274 -7.790 1.00 0.00 O ATOM 117 CB LEU A 6 6.326 0.854 -8.735 1.00 0.00 C ATOM 118 CG LEU A 6 6.632 2.058 -7.843 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.024 3.276 -8.681 1.00 0.00 C ATOM 120 CD2 LEU A 6 5.460 2.360 -6.906 1.00 0.00 C ATOM 0 H LEU A 6 8.419 0.457 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 6 7.481 -0.356 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.433 1.161 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.282 0.576 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 6 7.488 1.809 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.236 4.118 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.912 3.043 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.204 3.537 -9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.704 3.220 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.570 2.580 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.270 1.495 -6.271 1.00 0.00 H new ATOM 132 N ARG A 7 6.459 -2.153 -9.975 1.00 0.00 N ATOM 133 CA ARG A 7 5.792 -3.394 -10.331 1.00 0.00 C ATOM 134 C ARG A 7 6.587 -4.593 -9.810 1.00 0.00 C ATOM 135 O ARG A 7 6.006 -5.572 -9.344 1.00 0.00 O ATOM 136 CB ARG A 7 5.632 -3.518 -11.848 1.00 0.00 C ATOM 137 CG ARG A 7 5.507 -2.140 -12.500 1.00 0.00 C ATOM 138 CD ARG A 7 4.400 -2.132 -13.557 1.00 0.00 C ATOM 139 NE ARG A 7 4.994 -2.169 -14.912 1.00 0.00 N ATOM 140 CZ ARG A 7 5.399 -3.290 -15.524 1.00 0.00 C ATOM 141 NH1 ARG A 7 5.277 -4.472 -14.906 1.00 0.00 N ATOM 142 NH2 ARG A 7 5.926 -3.228 -16.755 1.00 0.00 N ATOM 0 H ARG A 7 6.920 -1.679 -10.751 1.00 0.00 H new ATOM 0 HA ARG A 7 4.803 -3.382 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.489 -4.046 -12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.749 -4.114 -12.077 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.292 -1.391 -11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.456 -1.864 -12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.744 -2.991 -13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.785 -1.239 -13.445 1.00 0.00 H new ATOM 0 HE ARG A 7 5.102 -1.286 -15.411 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.876 -4.519 -13.969 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.585 -5.325 -15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.019 -2.328 -17.225 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.234 -4.081 -17.221 1.00 0.00 H new ATOM 156 N ALA A 8 7.903 -4.477 -9.906 1.00 0.00 N ATOM 157 CA ALA A 8 8.784 -5.539 -9.450 1.00 0.00 C ATOM 158 C ALA A 8 8.656 -5.685 -7.933 1.00 0.00 C ATOM 159 O ALA A 8 8.434 -6.784 -7.428 1.00 0.00 O ATOM 160 CB ALA A 8 10.218 -5.236 -9.888 1.00 0.00 C ATOM 0 H ALA A 8 8.381 -3.663 -10.293 1.00 0.00 H new ATOM 0 HA ALA A 8 8.501 -6.492 -9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.879 -6.032 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.260 -5.171 -10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.538 -4.288 -9.455 1.00 0.00 H new ATOM 166 N ARG A 9 8.801 -4.560 -7.248 1.00 0.00 N ATOM 167 CA ARG A 9 8.705 -4.549 -5.798 1.00 0.00 C ATOM 168 C ARG A 9 7.294 -4.942 -5.357 1.00 0.00 C ATOM 169 O ARG A 9 7.115 -5.537 -4.295 1.00 0.00 O ATOM 170 CB ARG A 9 9.041 -3.167 -5.234 1.00 0.00 C ATOM 171 CG ARG A 9 8.402 -2.061 -6.076 1.00 0.00 C ATOM 172 CD ARG A 9 7.521 -1.155 -5.213 1.00 0.00 C ATOM 173 NE ARG A 9 7.985 0.247 -5.313 1.00 0.00 N ATOM 174 CZ ARG A 9 7.257 1.307 -4.938 1.00 0.00 C ATOM 175 NH1 ARG A 9 6.027 1.132 -4.437 1.00 0.00 N ATOM 176 NH2 ARG A 9 7.759 2.543 -5.066 1.00 0.00 N ATOM 0 H ARG A 9 8.984 -3.650 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 9 9.425 -5.271 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.689 -3.095 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.122 -3.033 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.181 -1.468 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.804 -2.505 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.483 -1.227 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.554 -1.484 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 9 8.917 0.416 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.645 0.191 -4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.473 1.939 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.695 2.676 -5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.205 3.351 -4.781 1.00 0.00 H new ATOM 190 N ARG A 10 6.328 -4.594 -6.194 1.00 0.00 N ATOM 191 CA ARG A 10 4.938 -4.904 -5.904 1.00 0.00 C ATOM 192 C ARG A 10 4.738 -6.418 -5.819 1.00 0.00 C ATOM 193 O ARG A 10 4.003 -6.904 -4.961 1.00 0.00 O ATOM 194 CB ARG A 10 4.011 -4.333 -6.979 1.00 0.00 C ATOM 195 CG ARG A 10 3.092 -3.258 -6.395 1.00 0.00 C ATOM 196 CD ARG A 10 3.901 -2.064 -5.883 1.00 0.00 C ATOM 197 NE ARG A 10 3.696 -0.897 -6.770 1.00 0.00 N ATOM 198 CZ ARG A 10 2.699 -0.012 -6.629 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.810 -0.157 -5.636 1.00 0.00 N ATOM 200 NH2 ARG A 10 2.591 1.017 -7.480 1.00 0.00 N ATOM 0 H ARG A 10 6.480 -4.100 -7.073 1.00 0.00 H new ATOM 0 HA ARG A 10 4.689 -4.448 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.605 -3.908 -7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.411 -5.134 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.387 -2.924 -7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.505 -3.680 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.596 -1.817 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.960 -2.321 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 10 4.354 -0.757 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.892 -0.940 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.051 0.516 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.267 1.127 -8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.832 1.690 -7.373 1.00 0.00 H new ATOM 214 N GLU A 11 5.406 -7.123 -6.721 1.00 0.00 N ATOM 215 CA GLU A 11 5.310 -8.572 -6.759 1.00 0.00 C ATOM 216 C GLU A 11 5.772 -9.169 -5.428 1.00 0.00 C ATOM 217 O GLU A 11 5.094 -10.022 -4.858 1.00 0.00 O ATOM 218 CB GLU A 11 6.117 -9.144 -7.926 1.00 0.00 C ATOM 219 CG GLU A 11 5.194 -9.617 -9.051 1.00 0.00 C ATOM 220 CD GLU A 11 4.493 -10.923 -8.673 1.00 0.00 C ATOM 221 OE1 GLU A 11 5.222 -11.892 -8.373 1.00 0.00 O ATOM 222 OE2 GLU A 11 3.243 -10.922 -8.693 1.00 0.00 O ATOM 0 H GLU A 11 6.016 -6.717 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 11 4.266 -8.844 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.801 -8.385 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.727 -9.977 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.450 -8.849 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.772 -9.761 -9.964 1.00 0.00 H new ATOM 229 N ALA A 12 6.924 -8.698 -4.973 1.00 0.00 N ATOM 230 CA ALA A 12 7.485 -9.175 -3.720 1.00 0.00 C ATOM 231 C ALA A 12 6.685 -8.592 -2.554 1.00 0.00 C ATOM 232 O ALA A 12 6.393 -9.292 -1.585 1.00 0.00 O ATOM 233 CB ALA A 12 8.968 -8.807 -3.652 1.00 0.00 C ATOM 0 H ALA A 12 7.484 -7.991 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 12 7.416 -10.261 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.389 -9.165 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.496 -9.270 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.077 -7.724 -3.710 1.00 0.00 H new ATOM 239 N VAL A 13 6.352 -7.316 -2.685 1.00 0.00 N ATOM 240 CA VAL A 13 5.591 -6.631 -1.654 1.00 0.00 C ATOM 241 C VAL A 13 4.208 -7.274 -1.535 1.00 0.00 C ATOM 242 O VAL A 13 3.654 -7.364 -0.440 1.00 0.00 O ATOM 243 CB VAL A 13 5.530 -5.133 -1.957 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.328 -4.483 -1.270 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.833 -4.438 -1.555 1.00 0.00 C ATOM 0 H VAL A 13 6.595 -6.739 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 13 6.081 -6.733 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 13 5.405 -5.014 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.308 -3.418 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.409 -4.949 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.408 -4.618 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.763 -3.374 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.002 -4.571 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.664 -4.873 -2.111 1.00 0.00 H new ATOM 255 N LEU A 14 3.690 -7.704 -2.676 1.00 0.00 N ATOM 256 CA LEU A 14 2.382 -8.335 -2.713 1.00 0.00 C ATOM 257 C LEU A 14 2.425 -9.634 -1.906 1.00 0.00 C ATOM 258 O LEU A 14 1.513 -9.918 -1.130 1.00 0.00 O ATOM 259 CB LEU A 14 1.920 -8.525 -4.159 1.00 0.00 C ATOM 260 CG LEU A 14 1.152 -7.355 -4.777 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.353 -7.501 -4.540 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.686 -6.016 -4.262 1.00 0.00 C ATOM 0 H LEU A 14 4.153 -7.628 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 14 1.635 -7.693 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.796 -8.725 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.289 -9.412 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 14 1.312 -7.373 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.876 -6.657 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.704 -8.428 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.552 -7.523 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.123 -5.201 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.576 -5.973 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.740 -5.920 -4.524 1.00 0.00 H new ATOM 274 N SER A 15 3.493 -10.389 -2.115 1.00 0.00 N ATOM 275 CA SER A 15 3.667 -11.651 -1.416 1.00 0.00 C ATOM 276 C SER A 15 3.968 -11.394 0.061 1.00 0.00 C ATOM 277 O SER A 15 3.534 -12.152 0.928 1.00 0.00 O ATOM 278 CB SER A 15 4.785 -12.482 -2.049 1.00 0.00 C ATOM 279 OG SER A 15 4.307 -13.729 -2.546 1.00 0.00 O ATOM 0 H SER A 15 4.247 -10.151 -2.759 1.00 0.00 H new ATOM 0 HA SER A 15 2.739 -12.218 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.240 -11.918 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.566 -12.662 -1.310 1.00 0.00 H new ATOM 0 HG SER A 15 5.050 -14.229 -2.944 1.00 0.00 H new ATOM 285 N LEU A 16 4.709 -10.323 0.304 1.00 0.00 N ATOM 286 CA LEU A 16 5.074 -9.957 1.662 1.00 0.00 C ATOM 287 C LEU A 16 3.862 -9.338 2.361 1.00 0.00 C ATOM 288 O LEU A 16 3.577 -9.657 3.515 1.00 0.00 O ATOM 289 CB LEU A 16 6.309 -9.054 1.660 1.00 0.00 C ATOM 290 CG LEU A 16 6.310 -7.916 2.682 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.693 -7.270 2.783 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.220 -6.890 2.361 1.00 0.00 C ATOM 0 H LEU A 16 5.067 -9.697 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 16 5.355 -10.842 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.188 -9.674 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.417 -8.622 0.665 1.00 0.00 H new ATOM 0 HG LEU A 16 6.079 -8.336 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.665 -6.464 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.422 -8.018 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.978 -6.867 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.242 -6.091 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.396 -6.470 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.245 -7.377 2.381 1.00 0.00 H new ATOM 304 N CYS A 17 3.180 -8.465 1.634 1.00 0.00 N ATOM 305 CA CYS A 17 2.006 -7.799 2.170 1.00 0.00 C ATOM 306 C CYS A 17 0.987 -8.869 2.568 1.00 0.00 C ATOM 307 O CYS A 17 0.349 -8.765 3.615 1.00 0.00 O ATOM 308 CB CYS A 17 1.420 -6.796 1.174 1.00 0.00 C ATOM 309 SG CYS A 17 2.236 -5.170 1.371 1.00 0.00 S ATOM 0 H CYS A 17 3.419 -8.204 0.677 1.00 0.00 H new ATOM 0 HA CYS A 17 2.284 -7.218 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.557 -7.160 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.347 -6.696 1.335 1.00 0.00 H new ATOM 0 HG CYS A 17 1.733 -4.326 0.520 1.00 0.00 H new ATOM 315 N ALA A 18 0.865 -9.872 1.711 1.00 0.00 N ATOM 316 CA ALA A 18 -0.066 -10.960 1.960 1.00 0.00 C ATOM 317 C ALA A 18 0.381 -11.734 3.202 1.00 0.00 C ATOM 318 O ALA A 18 -0.449 -12.247 3.950 1.00 0.00 O ATOM 319 CB ALA A 18 -0.154 -11.851 0.719 1.00 0.00 C ATOM 0 H ALA A 18 1.395 -9.954 0.844 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.066 -10.572 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.852 -12.667 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.503 -11.261 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.831 -12.260 0.494 1.00 0.00 H new ATOM 325 N ARG A 19 1.692 -11.792 3.384 1.00 0.00 N ATOM 326 CA ARG A 19 2.260 -12.494 4.522 1.00 0.00 C ATOM 327 C ARG A 19 1.973 -11.728 5.815 1.00 0.00 C ATOM 328 O ARG A 19 2.042 -12.294 6.905 1.00 0.00 O ATOM 329 CB ARG A 19 3.772 -12.667 4.365 1.00 0.00 C ATOM 330 CG ARG A 19 4.135 -14.137 4.140 1.00 0.00 C ATOM 331 CD ARG A 19 4.874 -14.322 2.813 1.00 0.00 C ATOM 332 NE ARG A 19 4.022 -15.066 1.859 1.00 0.00 N ATOM 333 CZ ARG A 19 4.430 -15.480 0.652 1.00 0.00 C ATOM 334 NH1 ARG A 19 5.681 -15.224 0.244 1.00 0.00 N ATOM 335 NH2 ARG A 19 3.589 -16.150 -0.147 1.00 0.00 N ATOM 0 H ARG A 19 2.378 -11.364 2.762 1.00 0.00 H new ATOM 0 HA ARG A 19 1.796 -13.479 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.125 -12.069 3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.279 -12.296 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.759 -14.491 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.229 -14.744 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.138 -13.350 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.806 -14.862 2.979 1.00 0.00 H new ATOM 0 HE ARG A 19 3.064 -15.277 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.322 -14.714 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.992 -15.539 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.637 -16.345 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.900 -16.465 -1.066 1.00 0.00 H new ATOM 349 N HIS A 20 1.657 -10.452 5.651 1.00 0.00 N ATOM 350 CA HIS A 20 1.359 -9.602 6.792 1.00 0.00 C ATOM 351 C HIS A 20 -0.147 -9.614 7.061 1.00 0.00 C ATOM 352 O HIS A 20 -0.608 -9.050 8.052 1.00 0.00 O ATOM 353 CB HIS A 20 1.913 -8.192 6.578 1.00 0.00 C ATOM 354 CG HIS A 20 3.370 -8.042 6.943 1.00 0.00 C ATOM 355 ND1 HIS A 20 3.791 -7.615 8.190 1.00 0.00 N ATOM 356 CD2 HIS A 20 4.500 -8.268 6.212 1.00 0.00 C ATOM 357 CE1 HIS A 20 5.116 -7.588 8.198 1.00 0.00 C ATOM 358 NE2 HIS A 20 5.553 -7.992 6.971 1.00 0.00 N ATOM 0 H HIS A 20 1.601 -9.986 4.746 1.00 0.00 H new ATOM 0 HA HIS A 20 1.854 -9.993 7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.781 -7.916 5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.327 -7.489 7.170 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.532 -8.613 5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.740 -7.297 9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.529 -8.069 6.684 1.00 0.00 H new ATOM 366 N GLY A 21 -0.871 -10.262 6.161 1.00 0.00 N ATOM 367 CA GLY A 21 -2.316 -10.354 6.289 1.00 0.00 C ATOM 368 C GLY A 21 -3.016 -9.534 5.204 1.00 0.00 C ATOM 369 O GLY A 21 -4.175 -9.787 4.880 1.00 0.00 O ATOM 0 H GLY A 21 -0.485 -10.728 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.625 -11.397 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.621 -9.997 7.273 1.00 0.00 H new ATOM 373 N ALA A 22 -2.282 -8.567 4.672 1.00 0.00 N ATOM 374 CA ALA A 22 -2.818 -7.708 3.630 1.00 0.00 C ATOM 375 C ALA A 22 -3.527 -8.567 2.581 1.00 0.00 C ATOM 376 O ALA A 22 -2.902 -9.409 1.937 1.00 0.00 O ATOM 377 CB ALA A 22 -1.689 -6.868 3.029 1.00 0.00 C ATOM 0 H ALA A 22 -1.321 -8.360 4.943 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.554 -7.018 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.091 -6.224 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.238 -6.254 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.933 -7.527 2.602 1.00 0.00 H new ATOM 383 N VAL A 23 -4.822 -8.326 2.441 1.00 0.00 N ATOM 384 CA VAL A 23 -5.622 -9.067 1.481 1.00 0.00 C ATOM 385 C VAL A 23 -6.098 -8.118 0.379 1.00 0.00 C ATOM 386 O VAL A 23 -6.151 -8.496 -0.790 1.00 0.00 O ATOM 387 CB VAL A 23 -6.774 -9.777 2.197 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.308 -11.100 2.806 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.397 -8.872 3.262 1.00 0.00 C ATOM 0 H VAL A 23 -5.337 -7.628 2.977 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.024 -9.844 1.005 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.542 -10.001 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.145 -11.584 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.933 -11.752 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.513 -10.909 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.213 -9.400 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.640 -8.603 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.782 -7.968 2.791 1.00 0.00 H new ATOM 399 N ARG A 24 -6.431 -6.904 0.791 1.00 0.00 N ATOM 400 CA ARG A 24 -6.900 -5.898 -0.146 1.00 0.00 C ATOM 401 C ARG A 24 -5.722 -5.080 -0.680 1.00 0.00 C ATOM 402 O ARG A 24 -5.738 -3.851 -0.622 1.00 0.00 O ATOM 403 CB ARG A 24 -7.908 -4.956 0.515 1.00 0.00 C ATOM 404 CG ARG A 24 -9.344 -5.373 0.191 1.00 0.00 C ATOM 405 CD ARG A 24 -10.071 -5.859 1.446 1.00 0.00 C ATOM 406 NE ARG A 24 -11.141 -6.811 1.075 1.00 0.00 N ATOM 407 CZ ARG A 24 -12.295 -6.454 0.495 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.535 -5.166 0.216 1.00 0.00 N ATOM 409 NH2 ARG A 24 -13.210 -7.386 0.193 1.00 0.00 N ATOM 0 H ARG A 24 -6.385 -6.594 1.762 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.391 -6.416 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.760 -4.959 1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.736 -3.936 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.882 -4.530 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.336 -6.165 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.364 -6.339 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.497 -5.010 1.981 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.991 -7.800 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.839 -4.456 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.414 -4.895 -0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.028 -8.367 0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.088 -7.114 -0.248 1.00 0.00 H new ATOM 423 N VAL A 25 -4.730 -5.794 -1.189 1.00 0.00 N ATOM 424 CA VAL A 25 -3.546 -5.150 -1.733 1.00 0.00 C ATOM 425 C VAL A 25 -3.925 -4.389 -3.006 1.00 0.00 C ATOM 426 O VAL A 25 -4.180 -4.997 -4.044 1.00 0.00 O ATOM 427 CB VAL A 25 -2.444 -6.187 -1.962 1.00 0.00 C ATOM 428 CG1 VAL A 25 -2.859 -7.201 -3.030 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.123 -5.510 -2.332 1.00 0.00 C ATOM 0 H VAL A 25 -4.721 -6.813 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.147 -4.423 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.293 -6.728 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.058 -7.927 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.764 -7.718 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.051 -6.682 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.357 -6.269 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.254 -4.932 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.816 -4.846 -1.524 1.00 0.00 H new ATOM 439 N ARG A 26 -3.949 -3.070 -2.883 1.00 0.00 N ATOM 440 CA ARG A 26 -4.292 -2.220 -4.010 1.00 0.00 C ATOM 441 C ARG A 26 -3.622 -0.852 -3.866 1.00 0.00 C ATOM 442 O ARG A 26 -3.287 -0.434 -2.759 1.00 0.00 O ATOM 443 CB ARG A 26 -5.806 -2.031 -4.117 1.00 0.00 C ATOM 444 CG ARG A 26 -6.432 -3.105 -5.008 1.00 0.00 C ATOM 445 CD ARG A 26 -7.666 -3.719 -4.343 1.00 0.00 C ATOM 446 NE ARG A 26 -8.580 -4.259 -5.374 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.781 -4.791 -5.109 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.220 -4.857 -3.844 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.543 -5.257 -6.108 1.00 0.00 N ATOM 0 H ARG A 26 -3.736 -2.569 -2.020 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.934 -2.710 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.252 -2.073 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.025 -1.044 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.711 -2.669 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.699 -3.885 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.364 -4.514 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.181 -2.966 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.277 -4.224 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.640 -4.502 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.134 -5.262 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.209 -5.207 -7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.457 -5.662 -5.906 1.00 0.00 H new ATOM 463 N VAL A 27 -3.448 -0.191 -5.001 1.00 0.00 N ATOM 464 CA VAL A 27 -2.825 1.121 -5.015 1.00 0.00 C ATOM 465 C VAL A 27 -3.906 2.193 -5.164 1.00 0.00 C ATOM 466 O VAL A 27 -4.621 2.224 -6.164 1.00 0.00 O ATOM 467 CB VAL A 27 -1.764 1.185 -6.117 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.758 2.305 -5.844 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.056 -0.162 -6.275 1.00 0.00 C ATOM 0 H VAL A 27 -3.728 -0.540 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.309 1.308 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.269 1.410 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.015 2.329 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.280 3.261 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.261 2.124 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.307 -0.089 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.570 -0.430 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.786 -0.928 -6.537 1.00 0.00 H new ATOM 479 N PHE A 28 -3.992 3.045 -4.153 1.00 0.00 N ATOM 480 CA PHE A 28 -4.975 4.116 -4.158 1.00 0.00 C ATOM 481 C PHE A 28 -4.299 5.481 -4.010 1.00 0.00 C ATOM 482 O PHE A 28 -3.423 5.655 -3.164 1.00 0.00 O ATOM 483 CB PHE A 28 -5.897 3.883 -2.960 1.00 0.00 C ATOM 484 CG PHE A 28 -5.411 4.537 -1.665 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.755 5.822 -1.381 1.00 0.00 C ATOM 486 CD2 PHE A 28 -4.635 3.833 -0.797 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.304 6.428 -0.179 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.184 4.440 0.405 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.528 5.725 0.688 1.00 0.00 C ATOM 0 H PHE A 28 -3.397 3.016 -3.325 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.524 4.113 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.889 4.266 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.000 2.810 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.371 6.381 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.362 2.813 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.578 7.448 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.568 3.881 1.094 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.185 6.187 1.602 1.00 0.00 H new ATOM 499 N GLY A 29 -4.733 6.414 -4.845 1.00 0.00 N ATOM 500 CA GLY A 29 -4.181 7.758 -4.816 1.00 0.00 C ATOM 501 C GLY A 29 -3.481 8.090 -6.135 1.00 0.00 C ATOM 502 O GLY A 29 -3.767 7.482 -7.165 1.00 0.00 O ATOM 0 H GLY A 29 -5.460 6.266 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.978 8.479 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.473 7.847 -3.992 1.00 0.00 H new ATOM 506 N SER A 30 -2.577 9.056 -6.061 1.00 0.00 N ATOM 507 CA SER A 30 -1.833 9.477 -7.237 1.00 0.00 C ATOM 508 C SER A 30 -0.803 8.411 -7.614 1.00 0.00 C ATOM 509 O SER A 30 -0.489 8.235 -8.790 1.00 0.00 O ATOM 510 CB SER A 30 -1.142 10.821 -6.999 1.00 0.00 C ATOM 511 OG SER A 30 -0.901 11.061 -5.615 1.00 0.00 O ATOM 0 H SER A 30 -2.343 9.559 -5.205 1.00 0.00 H new ATOM 0 HA SER A 30 -2.536 9.601 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.196 10.843 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.760 11.623 -7.404 1.00 0.00 H new ATOM 0 HG SER A 30 -0.457 11.928 -5.506 1.00 0.00 H new ATOM 517 N VAL A 31 -0.306 7.726 -6.594 1.00 0.00 N ATOM 518 CA VAL A 31 0.681 6.681 -6.805 1.00 0.00 C ATOM 519 C VAL A 31 0.099 5.614 -7.733 1.00 0.00 C ATOM 520 O VAL A 31 0.744 5.207 -8.698 1.00 0.00 O ATOM 521 CB VAL A 31 1.141 6.117 -5.459 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.886 7.177 -4.645 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.041 5.551 -4.669 1.00 0.00 C ATOM 0 H VAL A 31 -0.569 7.874 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 31 1.567 7.086 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 31 1.834 5.300 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.202 6.750 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.762 7.513 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.226 8.025 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.313 5.157 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.768 6.342 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.511 4.751 -5.241 1.00 0.00 H new ATOM 533 N ALA A 32 -1.114 5.191 -7.408 1.00 0.00 N ATOM 534 CA ALA A 32 -1.791 4.179 -8.201 1.00 0.00 C ATOM 535 C ALA A 32 -1.820 4.619 -9.666 1.00 0.00 C ATOM 536 O ALA A 32 -1.759 3.787 -10.570 1.00 0.00 O ATOM 537 CB ALA A 32 -3.192 3.940 -7.636 1.00 0.00 C ATOM 0 H ALA A 32 -1.645 5.531 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.254 3.232 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.700 3.181 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.115 3.600 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.762 4.869 -7.670 1.00 0.00 H new ATOM 543 N ARG A 33 -1.913 5.927 -9.855 1.00 0.00 N ATOM 544 CA ARG A 33 -1.951 6.489 -11.195 1.00 0.00 C ATOM 545 C ARG A 33 -0.531 6.728 -11.711 1.00 0.00 C ATOM 546 O ARG A 33 -0.342 7.358 -12.750 1.00 0.00 O ATOM 547 CB ARG A 33 -2.724 7.809 -11.217 1.00 0.00 C ATOM 548 CG ARG A 33 -4.055 7.654 -11.955 1.00 0.00 C ATOM 549 CD ARG A 33 -4.806 8.985 -12.017 1.00 0.00 C ATOM 550 NE ARG A 33 -5.064 9.355 -13.427 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.182 9.990 -14.210 1.00 0.00 C ATOM 552 NH1 ARG A 33 -2.980 10.330 -13.727 1.00 0.00 N ATOM 553 NH2 ARG A 33 -4.503 10.286 -15.477 1.00 0.00 N ATOM 0 H ARG A 33 -1.963 6.614 -9.103 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.460 5.773 -11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.907 8.144 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.123 8.578 -11.702 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.874 7.287 -12.965 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.670 6.909 -11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.748 8.906 -11.475 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.222 9.765 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.970 9.111 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.736 10.105 -12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.309 10.814 -14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.419 10.028 -15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.832 10.770 -16.074 1.00 0.00 H new ATOM 567 N GLY A 34 0.432 6.213 -10.960 1.00 0.00 N ATOM 568 CA GLY A 34 1.829 6.363 -11.328 1.00 0.00 C ATOM 569 C GLY A 34 2.306 7.798 -11.097 1.00 0.00 C ATOM 570 O GLY A 34 3.016 8.361 -11.929 1.00 0.00 O ATOM 0 H GLY A 34 0.272 5.691 -10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.439 5.675 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.963 6.096 -12.376 1.00 0.00 H new ATOM 574 N GLU A 35 1.898 8.348 -9.964 1.00 0.00 N ATOM 575 CA GLU A 35 2.275 9.707 -9.613 1.00 0.00 C ATOM 576 C GLU A 35 2.600 9.799 -8.121 1.00 0.00 C ATOM 577 O GLU A 35 1.822 9.347 -7.283 1.00 0.00 O ATOM 578 CB GLU A 35 1.173 10.698 -9.996 1.00 0.00 C ATOM 579 CG GLU A 35 1.259 11.067 -11.478 1.00 0.00 C ATOM 580 CD GLU A 35 2.333 12.130 -11.717 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.524 11.768 -11.612 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.937 13.282 -11.999 1.00 0.00 O ATOM 0 H GLU A 35 1.310 7.878 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 35 3.169 9.972 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.197 10.263 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.261 11.598 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.486 10.177 -12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.293 11.437 -11.821 1.00 0.00 H new ATOM 589 N ALA A 36 3.752 10.387 -7.834 1.00 0.00 N ATOM 590 CA ALA A 36 4.191 10.544 -6.458 1.00 0.00 C ATOM 591 C ALA A 36 5.251 11.645 -6.387 1.00 0.00 C ATOM 592 O ALA A 36 6.436 11.384 -6.595 1.00 0.00 O ATOM 593 CB ALA A 36 4.705 9.204 -5.929 1.00 0.00 C ATOM 0 H ALA A 36 4.395 10.761 -8.532 1.00 0.00 H new ATOM 0 HA ALA A 36 3.359 10.847 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.034 9.322 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.905 8.465 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.543 8.868 -6.541 1.00 0.00 H new ATOM 599 N ARG A 37 4.788 12.851 -6.094 1.00 0.00 N ATOM 600 CA ARG A 37 5.683 13.992 -5.993 1.00 0.00 C ATOM 601 C ARG A 37 6.983 13.587 -5.296 1.00 0.00 C ATOM 602 O ARG A 37 7.020 12.592 -4.574 1.00 0.00 O ATOM 603 CB ARG A 37 5.030 15.137 -5.216 1.00 0.00 C ATOM 604 CG ARG A 37 5.220 16.470 -5.941 1.00 0.00 C ATOM 605 CD ARG A 37 3.896 17.229 -6.051 1.00 0.00 C ATOM 606 NE ARG A 37 3.893 18.068 -7.270 1.00 0.00 N ATOM 607 CZ ARG A 37 3.944 17.581 -8.517 1.00 0.00 C ATOM 608 NH1 ARG A 37 4.004 16.258 -8.718 1.00 0.00 N ATOM 609 NH2 ARG A 37 3.937 18.418 -9.564 1.00 0.00 N ATOM 0 H ARG A 37 3.805 13.063 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 37 5.901 14.333 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.966 14.936 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.463 15.197 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.949 17.079 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.625 16.292 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.065 16.524 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.751 17.853 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 37 3.849 19.080 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.011 15.621 -7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.043 15.888 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.893 19.426 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.976 18.047 -10.513 1.00 0.00 H new ATOM 623 N GLU A 38 8.017 14.380 -5.535 1.00 0.00 N ATOM 624 CA GLU A 38 9.315 14.117 -4.938 1.00 0.00 C ATOM 625 C GLU A 38 9.313 14.522 -3.463 1.00 0.00 C ATOM 626 O GLU A 38 10.297 14.309 -2.756 1.00 0.00 O ATOM 627 CB GLU A 38 10.426 14.839 -5.703 1.00 0.00 C ATOM 628 CG GLU A 38 10.431 14.431 -7.178 1.00 0.00 C ATOM 629 CD GLU A 38 11.298 13.190 -7.401 1.00 0.00 C ATOM 630 OE1 GLU A 38 10.761 12.080 -7.198 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.477 13.381 -7.769 1.00 0.00 O ATOM 0 H GLU A 38 7.982 15.205 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 38 9.512 13.047 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.288 15.917 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.392 14.606 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.411 14.230 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.806 15.255 -7.786 1.00 0.00 H new ATOM 638 N ASP A 39 8.197 15.098 -3.041 1.00 0.00 N ATOM 639 CA ASP A 39 8.054 15.534 -1.663 1.00 0.00 C ATOM 640 C ASP A 39 6.837 14.848 -1.039 1.00 0.00 C ATOM 641 O ASP A 39 6.457 15.156 0.090 1.00 0.00 O ATOM 642 CB ASP A 39 7.837 17.046 -1.583 1.00 0.00 C ATOM 643 CG ASP A 39 8.729 17.776 -0.577 1.00 0.00 C ATOM 644 OD1 ASP A 39 9.180 17.102 0.375 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.941 18.990 -0.783 1.00 0.00 O ATOM 0 H ASP A 39 7.383 15.273 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 39 8.968 15.272 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.004 17.474 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.795 17.235 -1.326 1.00 0.00 H new ATOM 650 N SER A 40 6.259 13.931 -1.801 1.00 0.00 N ATOM 651 CA SER A 40 5.093 13.199 -1.337 1.00 0.00 C ATOM 652 C SER A 40 5.485 11.764 -0.977 1.00 0.00 C ATOM 653 O SER A 40 6.612 11.342 -1.231 1.00 0.00 O ATOM 654 CB SER A 40 3.987 13.198 -2.394 1.00 0.00 C ATOM 655 OG SER A 40 3.145 14.342 -2.286 1.00 0.00 O ATOM 0 H SER A 40 6.577 13.678 -2.737 1.00 0.00 H new ATOM 0 HA SER A 40 4.708 13.698 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.435 13.170 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.386 12.294 -2.289 1.00 0.00 H new ATOM 0 HG SER A 40 2.453 14.305 -2.979 1.00 0.00 H new ATOM 661 N ASP A 41 4.532 11.053 -0.392 1.00 0.00 N ATOM 662 CA ASP A 41 4.764 9.675 0.005 1.00 0.00 C ATOM 663 C ASP A 41 3.955 8.745 -0.901 1.00 0.00 C ATOM 664 O ASP A 41 3.333 9.195 -1.862 1.00 0.00 O ATOM 665 CB ASP A 41 4.317 9.435 1.449 1.00 0.00 C ATOM 666 CG ASP A 41 5.028 10.293 2.497 1.00 0.00 C ATOM 667 OD1 ASP A 41 4.592 11.451 2.674 1.00 0.00 O ATOM 668 OD2 ASP A 41 5.992 9.771 3.098 1.00 0.00 O ATOM 0 H ASP A 41 3.598 11.406 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 41 5.832 9.475 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.245 9.619 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.476 8.385 1.693 1.00 0.00 H new ATOM 673 N LEU A 42 3.989 7.465 -0.562 1.00 0.00 N ATOM 674 CA LEU A 42 3.266 6.467 -1.334 1.00 0.00 C ATOM 675 C LEU A 42 2.118 5.910 -0.490 1.00 0.00 C ATOM 676 O LEU A 42 2.340 5.401 0.608 1.00 0.00 O ATOM 677 CB LEU A 42 4.225 5.394 -1.854 1.00 0.00 C ATOM 678 CG LEU A 42 3.577 4.099 -2.348 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.605 4.020 -3.875 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.231 2.877 -1.699 1.00 0.00 C ATOM 0 H LEU A 42 4.505 7.095 0.236 1.00 0.00 H new ATOM 0 HA LEU A 42 2.820 6.919 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.807 5.820 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.927 5.145 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 42 2.530 4.103 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.138 3.090 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.059 4.866 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.638 4.048 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.752 1.970 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.291 2.855 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.116 2.935 -0.617 1.00 0.00 H new ATOM 692 N ASP A 43 0.916 6.024 -1.035 1.00 0.00 N ATOM 693 CA ASP A 43 -0.267 5.537 -0.346 1.00 0.00 C ATOM 694 C ASP A 43 -0.629 4.150 -0.881 1.00 0.00 C ATOM 695 O ASP A 43 -0.698 3.946 -2.092 1.00 0.00 O ATOM 696 CB ASP A 43 -1.462 6.462 -0.584 1.00 0.00 C ATOM 697 CG ASP A 43 -1.328 7.861 0.022 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.249 8.461 -0.169 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.308 8.298 0.664 1.00 0.00 O ATOM 0 H ASP A 43 0.736 6.446 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.045 5.501 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.617 6.561 -1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.355 5.989 -0.175 1.00 0.00 H new ATOM 704 N LEU A 44 -0.852 3.232 0.049 1.00 0.00 N ATOM 705 CA LEU A 44 -1.206 1.870 -0.314 1.00 0.00 C ATOM 706 C LEU A 44 -2.365 1.398 0.565 1.00 0.00 C ATOM 707 O LEU A 44 -2.288 1.466 1.790 1.00 0.00 O ATOM 708 CB LEU A 44 0.024 0.963 -0.250 1.00 0.00 C ATOM 709 CG LEU A 44 1.114 1.236 -1.288 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.302 0.290 -1.098 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.549 1.166 -2.708 1.00 0.00 C ATOM 0 H LEU A 44 -0.794 3.405 1.053 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.552 1.828 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.465 1.052 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.305 -0.070 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 44 1.482 2.251 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.062 0.505 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.724 0.431 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.967 -0.741 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.345 1.364 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.137 0.173 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.238 1.911 -2.824 1.00 0.00 H new ATOM 723 N LEU A 45 -3.414 0.929 -0.096 1.00 0.00 N ATOM 724 CA LEU A 45 -4.588 0.446 0.609 1.00 0.00 C ATOM 725 C LEU A 45 -4.505 -1.076 0.745 1.00 0.00 C ATOM 726 O LEU A 45 -4.568 -1.796 -0.250 1.00 0.00 O ATOM 727 CB LEU A 45 -5.865 0.933 -0.078 1.00 0.00 C ATOM 728 CG LEU A 45 -7.165 0.259 0.365 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.241 0.164 1.890 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.382 0.972 -0.226 1.00 0.00 C ATOM 0 H LEU A 45 -3.474 0.874 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.621 0.856 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.959 2.005 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.753 0.790 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.170 -0.760 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.175 -0.319 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.400 -0.422 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.203 1.165 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.293 0.472 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.395 2.009 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.327 0.943 -1.314 1.00 0.00 H new ATOM 742 N VAL A 46 -4.366 -1.521 1.985 1.00 0.00 N ATOM 743 CA VAL A 46 -4.274 -2.944 2.264 1.00 0.00 C ATOM 744 C VAL A 46 -5.137 -3.278 3.482 1.00 0.00 C ATOM 745 O VAL A 46 -5.376 -2.421 4.332 1.00 0.00 O ATOM 746 CB VAL A 46 -2.809 -3.349 2.441 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.212 -3.839 1.120 1.00 0.00 C ATOM 748 CG2 VAL A 46 -1.987 -2.195 3.019 1.00 0.00 C ATOM 0 H VAL A 46 -4.315 -0.921 2.808 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.659 -3.523 1.424 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.773 -4.175 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.170 -4.120 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.773 -4.704 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.267 -3.042 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.950 -2.509 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.034 -1.341 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.391 -1.912 3.991 1.00 0.00 H new ATOM 758 N ALA A 47 -5.583 -4.524 3.528 1.00 0.00 N ATOM 759 CA ALA A 47 -6.415 -4.982 4.628 1.00 0.00 C ATOM 760 C ALA A 47 -5.816 -6.260 5.218 1.00 0.00 C ATOM 761 O ALA A 47 -5.657 -7.257 4.514 1.00 0.00 O ATOM 762 CB ALA A 47 -7.849 -5.184 4.134 1.00 0.00 C ATOM 0 H ALA A 47 -5.384 -5.232 2.821 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.446 -4.236 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.473 -5.528 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.239 -4.240 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.858 -5.928 3.338 1.00 0.00 H new ATOM 768 N PHE A 48 -5.500 -6.190 6.502 1.00 0.00 N ATOM 769 CA PHE A 48 -4.923 -7.330 7.195 1.00 0.00 C ATOM 770 C PHE A 48 -6.012 -8.196 7.830 1.00 0.00 C ATOM 771 O PHE A 48 -6.915 -7.680 8.488 1.00 0.00 O ATOM 772 CB PHE A 48 -4.022 -6.773 8.299 1.00 0.00 C ATOM 773 CG PHE A 48 -3.053 -5.688 7.824 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.484 -4.405 7.687 1.00 0.00 C ATOM 775 CD2 PHE A 48 -1.762 -6.006 7.539 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.585 -3.398 7.246 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.864 -4.999 7.098 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.294 -3.716 6.961 1.00 0.00 C ATOM 0 H PHE A 48 -5.632 -5.361 7.082 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.368 -7.951 6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.648 -6.365 9.093 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.449 -7.592 8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.509 -4.152 7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.420 -7.025 7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.927 -2.379 7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.161 -5.252 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.610 -2.950 6.626 1.00 0.00 H new ATOM 788 N GLU A 49 -5.892 -9.497 7.610 1.00 0.00 N ATOM 789 CA GLU A 49 -6.856 -10.439 8.153 1.00 0.00 C ATOM 790 C GLU A 49 -6.298 -11.101 9.414 1.00 0.00 C ATOM 791 O GLU A 49 -5.094 -11.059 9.661 1.00 0.00 O ATOM 792 CB GLU A 49 -7.245 -11.488 7.109 1.00 0.00 C ATOM 793 CG GLU A 49 -6.054 -12.384 6.763 1.00 0.00 C ATOM 794 CD GLU A 49 -6.039 -13.639 7.639 1.00 0.00 C ATOM 795 OE1 GLU A 49 -7.065 -13.872 8.313 1.00 0.00 O ATOM 796 OE2 GLU A 49 -5.002 -14.336 7.613 1.00 0.00 O ATOM 0 H GLU A 49 -5.142 -9.921 7.063 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.759 -9.891 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.065 -12.097 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.606 -10.993 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.103 -12.670 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.125 -11.830 6.900 1.00 0.00 H new ATOM 803 N GLU A 50 -7.201 -11.698 10.180 1.00 0.00 N ATOM 804 CA GLU A 50 -6.814 -12.368 11.410 1.00 0.00 C ATOM 805 C GLU A 50 -5.461 -13.060 11.234 1.00 0.00 C ATOM 806 O GLU A 50 -5.237 -13.751 10.241 1.00 0.00 O ATOM 807 CB GLU A 50 -7.887 -13.365 11.851 1.00 0.00 C ATOM 808 CG GLU A 50 -7.284 -14.753 12.079 1.00 0.00 C ATOM 809 CD GLU A 50 -8.371 -15.772 12.430 1.00 0.00 C ATOM 810 OE1 GLU A 50 -8.737 -15.823 13.624 1.00 0.00 O ATOM 811 OE2 GLU A 50 -8.811 -16.476 11.496 1.00 0.00 O ATOM 0 H GLU A 50 -8.199 -11.731 9.972 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.717 -11.618 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.359 -13.014 12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.668 -13.424 11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.754 -15.075 11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.550 -14.707 12.884 1.00 0.00 H new ATOM 818 N GLY A 51 -4.593 -12.850 12.213 1.00 0.00 N ATOM 819 CA GLY A 51 -3.268 -13.445 12.179 1.00 0.00 C ATOM 820 C GLY A 51 -2.182 -12.367 12.215 1.00 0.00 C ATOM 821 O GLY A 51 -0.992 -12.680 12.214 1.00 0.00 O ATOM 0 H GLY A 51 -4.782 -12.276 13.035 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.146 -14.118 13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.159 -14.047 11.277 1.00 0.00 H new ATOM 825 N ARG A 52 -2.631 -11.121 12.246 1.00 0.00 N ATOM 826 CA ARG A 52 -1.712 -9.996 12.283 1.00 0.00 C ATOM 827 C ARG A 52 -2.142 -8.994 13.357 1.00 0.00 C ATOM 828 O ARG A 52 -3.289 -9.007 13.799 1.00 0.00 O ATOM 829 CB ARG A 52 -1.656 -9.287 10.928 1.00 0.00 C ATOM 830 CG ARG A 52 -2.914 -9.573 10.106 1.00 0.00 C ATOM 831 CD ARG A 52 -4.139 -8.894 10.724 1.00 0.00 C ATOM 832 NE ARG A 52 -3.867 -7.455 10.935 1.00 0.00 N ATOM 833 CZ ARG A 52 -4.679 -6.627 11.606 1.00 0.00 C ATOM 834 NH1 ARG A 52 -5.819 -7.091 12.135 1.00 0.00 N ATOM 835 NH2 ARG A 52 -4.351 -5.335 11.747 1.00 0.00 N ATOM 0 H ARG A 52 -3.619 -10.866 12.246 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.721 -10.384 12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.553 -8.213 11.080 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.775 -9.617 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.774 -9.219 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.080 -10.649 10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.002 -9.017 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.388 -9.369 11.673 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.007 -7.069 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.068 -8.074 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.438 -6.461 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.483 -4.982 11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.969 -4.705 12.258 1.00 0.00 H new ATOM 849 N THR A 53 -1.197 -8.150 13.745 1.00 0.00 N ATOM 850 CA THR A 53 -1.463 -7.144 14.759 1.00 0.00 C ATOM 851 C THR A 53 -0.865 -5.798 14.345 1.00 0.00 C ATOM 852 O THR A 53 -0.196 -5.702 13.318 1.00 0.00 O ATOM 853 CB THR A 53 -0.925 -7.664 16.094 1.00 0.00 C ATOM 854 OG1 THR A 53 0.413 -8.057 15.799 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.606 -8.961 16.535 1.00 0.00 C ATOM 0 H THR A 53 -0.246 -8.142 13.375 1.00 0.00 H new ATOM 0 HA THR A 53 -2.533 -6.968 14.870 1.00 0.00 H new ATOM 0 HB THR A 53 -1.063 -6.903 16.862 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.838 -8.405 16.610 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.187 -9.286 17.487 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.676 -8.789 16.649 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.440 -9.733 15.783 1.00 0.00 H new ATOM 863 N LEU A 54 -1.129 -4.792 15.166 1.00 0.00 N ATOM 864 CA LEU A 54 -0.625 -3.456 14.898 1.00 0.00 C ATOM 865 C LEU A 54 0.892 -3.517 14.705 1.00 0.00 C ATOM 866 O LEU A 54 1.467 -2.679 14.011 1.00 0.00 O ATOM 867 CB LEU A 54 -1.066 -2.486 15.996 1.00 0.00 C ATOM 868 CG LEU A 54 -1.915 -1.298 15.540 1.00 0.00 C ATOM 869 CD1 LEU A 54 -1.099 -0.345 14.665 1.00 0.00 C ATOM 870 CD2 LEU A 54 -3.189 -1.772 14.837 1.00 0.00 C ATOM 0 H LEU A 54 -1.685 -4.875 16.017 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.050 -3.068 13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.630 -3.045 16.742 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.175 -2.101 16.493 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.224 -0.740 16.424 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.726 0.491 14.354 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.248 0.031 15.233 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.741 -0.877 13.784 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.774 -0.908 14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.923 -2.367 13.963 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.779 -2.380 15.523 1.00 0.00 H new ATOM 882 N LEU A 55 1.496 -4.516 15.330 1.00 0.00 N ATOM 883 CA LEU A 55 2.935 -4.697 15.236 1.00 0.00 C ATOM 884 C LEU A 55 3.313 -4.992 13.783 1.00 0.00 C ATOM 885 O LEU A 55 4.286 -4.443 13.267 1.00 0.00 O ATOM 886 CB LEU A 55 3.406 -5.767 16.223 1.00 0.00 C ATOM 887 CG LEU A 55 4.369 -5.294 17.314 1.00 0.00 C ATOM 888 CD1 LEU A 55 3.692 -5.308 18.686 1.00 0.00 C ATOM 889 CD2 LEU A 55 5.658 -6.118 17.303 1.00 0.00 C ATOM 0 H LEU A 55 1.016 -5.209 15.904 1.00 0.00 H new ATOM 0 HA LEU A 55 3.454 -3.782 15.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.529 -6.202 16.703 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.890 -6.565 15.660 1.00 0.00 H new ATOM 0 HG LEU A 55 4.645 -4.261 17.101 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.398 -4.968 19.444 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.827 -4.645 18.672 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.368 -6.322 18.921 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.325 -5.761 18.088 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.421 -7.167 17.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.148 -6.013 16.335 1.00 0.00 H new ATOM 901 N ASP A 56 2.525 -5.859 13.164 1.00 0.00 N ATOM 902 CA ASP A 56 2.765 -6.233 11.781 1.00 0.00 C ATOM 903 C ASP A 56 2.550 -5.014 10.882 1.00 0.00 C ATOM 904 O ASP A 56 3.227 -4.860 9.867 1.00 0.00 O ATOM 905 CB ASP A 56 1.797 -7.329 11.331 1.00 0.00 C ATOM 906 CG ASP A 56 2.461 -8.611 10.824 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.443 -9.035 11.471 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.971 -9.138 9.802 1.00 0.00 O ATOM 0 H ASP A 56 1.720 -6.313 13.595 1.00 0.00 H new ATOM 0 HA ASP A 56 3.788 -6.601 11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.144 -7.582 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.162 -6.930 10.540 1.00 0.00 H new ATOM 913 N HIS A 57 1.605 -4.179 11.288 1.00 0.00 N ATOM 914 CA HIS A 57 1.292 -2.978 10.532 1.00 0.00 C ATOM 915 C HIS A 57 2.554 -2.127 10.376 1.00 0.00 C ATOM 916 O HIS A 57 2.911 -1.736 9.266 1.00 0.00 O ATOM 917 CB HIS A 57 0.137 -2.213 11.181 1.00 0.00 C ATOM 918 CG HIS A 57 -1.231 -2.695 10.761 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.306 -1.840 10.587 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.687 -3.949 10.481 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.357 -2.559 10.221 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.971 -3.866 10.156 1.00 0.00 N ATOM 0 H HIS A 57 1.046 -4.310 12.131 1.00 0.00 H new ATOM 0 HA HIS A 57 0.954 -3.251 9.532 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.223 -2.296 12.264 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.230 -1.156 10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.102 -4.856 10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.345 -2.178 10.011 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.571 -4.650 9.900 1.00 0.00 H new ATOM 930 N ALA A 58 3.195 -1.863 11.506 1.00 0.00 N ATOM 931 CA ALA A 58 4.409 -1.065 11.509 1.00 0.00 C ATOM 932 C ALA A 58 5.532 -1.851 10.830 1.00 0.00 C ATOM 933 O ALA A 58 6.308 -1.290 10.057 1.00 0.00 O ATOM 934 CB ALA A 58 4.758 -0.673 12.946 1.00 0.00 C ATOM 0 H ALA A 58 2.896 -2.188 12.425 1.00 0.00 H new ATOM 0 HA ALA A 58 4.264 -0.143 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.669 -0.074 12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.941 -0.092 13.373 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.914 -1.573 13.541 1.00 0.00 H new ATOM 940 N ARG A 59 5.584 -3.138 11.142 1.00 0.00 N ATOM 941 CA ARG A 59 6.599 -4.006 10.572 1.00 0.00 C ATOM 942 C ARG A 59 6.451 -4.068 9.050 1.00 0.00 C ATOM 943 O ARG A 59 7.441 -3.995 8.323 1.00 0.00 O ATOM 944 CB ARG A 59 6.499 -5.421 11.145 1.00 0.00 C ATOM 945 CG ARG A 59 7.493 -5.620 12.291 1.00 0.00 C ATOM 946 CD ARG A 59 8.121 -7.014 12.236 1.00 0.00 C ATOM 947 NE ARG A 59 8.726 -7.348 13.545 1.00 0.00 N ATOM 948 CZ ARG A 59 9.707 -8.246 13.712 1.00 0.00 C ATOM 949 NH1 ARG A 59 10.200 -8.904 12.655 1.00 0.00 N ATOM 950 NH2 ARG A 59 10.195 -8.485 14.937 1.00 0.00 N ATOM 0 H ARG A 59 4.939 -3.600 11.783 1.00 0.00 H new ATOM 0 HA ARG A 59 7.573 -3.590 10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.485 -5.602 11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.694 -6.150 10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.275 -4.863 12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.985 -5.483 13.246 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.363 -7.753 11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.881 -7.049 11.455 1.00 0.00 H new ATOM 0 HE ARG A 59 8.374 -6.865 14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.829 -8.722 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.947 -9.587 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.820 -7.984 15.742 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.941 -9.168 15.064 1.00 0.00 H new ATOM 964 N LEU A 60 5.207 -4.202 8.613 1.00 0.00 N ATOM 965 CA LEU A 60 4.917 -4.275 7.192 1.00 0.00 C ATOM 966 C LEU A 60 5.453 -3.019 6.501 1.00 0.00 C ATOM 967 O LEU A 60 5.966 -3.091 5.386 1.00 0.00 O ATOM 968 CB LEU A 60 3.423 -4.513 6.961 1.00 0.00 C ATOM 969 CG LEU A 60 3.034 -5.046 5.581 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.651 -4.539 5.167 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.103 -4.708 4.541 1.00 0.00 C ATOM 0 H LEU A 60 4.389 -4.262 9.219 1.00 0.00 H new ATOM 0 HA LEU A 60 5.426 -5.128 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.067 -5.216 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.896 -3.574 7.128 1.00 0.00 H new ATOM 0 HG LEU A 60 2.974 -6.133 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.399 -4.933 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.909 -4.873 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.659 -3.450 5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.801 -5.098 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.219 -3.626 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.051 -5.158 4.834 1.00 0.00 H new ATOM 983 N LYS A 61 5.316 -1.898 7.194 1.00 0.00 N ATOM 984 CA LYS A 61 5.781 -0.628 6.661 1.00 0.00 C ATOM 985 C LYS A 61 7.286 -0.709 6.401 1.00 0.00 C ATOM 986 O LYS A 61 7.747 -0.402 5.303 1.00 0.00 O ATOM 987 CB LYS A 61 5.377 0.521 7.587 1.00 0.00 C ATOM 988 CG LYS A 61 6.521 1.525 7.745 1.00 0.00 C ATOM 989 CD LYS A 61 6.780 2.271 6.434 1.00 0.00 C ATOM 990 CE LYS A 61 7.497 3.598 6.691 1.00 0.00 C ATOM 991 NZ LYS A 61 6.549 4.606 7.216 1.00 0.00 N ATOM 0 H LYS A 61 4.890 -1.842 8.119 1.00 0.00 H new ATOM 0 HA LYS A 61 5.303 -0.418 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.498 1.025 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.098 0.125 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.277 2.239 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.426 1.004 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.383 1.650 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.835 2.457 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.308 3.448 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.947 3.960 5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.022 5.531 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.729 4.675 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.230 4.322 8.164 1.00 0.00 H new ATOM 1005 N LEU A 62 8.010 -1.125 7.430 1.00 0.00 N ATOM 1006 CA LEU A 62 9.454 -1.250 7.326 1.00 0.00 C ATOM 1007 C LEU A 62 9.798 -2.205 6.182 1.00 0.00 C ATOM 1008 O LEU A 62 10.735 -1.958 5.423 1.00 0.00 O ATOM 1009 CB LEU A 62 10.054 -1.662 8.672 1.00 0.00 C ATOM 1010 CG LEU A 62 9.353 -1.112 9.916 1.00 0.00 C ATOM 1011 CD1 LEU A 62 10.187 -1.365 11.173 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.012 0.370 9.743 1.00 0.00 C ATOM 0 H LEU A 62 7.624 -1.380 8.339 1.00 0.00 H new ATOM 0 HA LEU A 62 9.903 -0.287 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.053 -2.750 8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.096 -1.343 8.696 1.00 0.00 H new ATOM 0 HG LEU A 62 8.412 -1.647 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.666 -0.964 12.042 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.335 -2.437 11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.155 -0.874 11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.515 0.736 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.928 0.937 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.350 0.493 8.886 1.00 0.00 H new ATOM 1024 N ALA A 63 9.022 -3.275 6.093 1.00 0.00 N ATOM 1025 CA ALA A 63 9.233 -4.268 5.053 1.00 0.00 C ATOM 1026 C ALA A 63 9.113 -3.599 3.683 1.00 0.00 C ATOM 1027 O ALA A 63 9.829 -3.956 2.748 1.00 0.00 O ATOM 1028 CB ALA A 63 8.236 -5.414 5.232 1.00 0.00 C ATOM 0 H ALA A 63 8.246 -3.476 6.724 1.00 0.00 H new ATOM 0 HA ALA A 63 10.234 -4.693 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.394 -6.159 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.383 -5.875 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.220 -5.026 5.163 1.00 0.00 H new ATOM 1034 N LEU A 64 8.201 -2.640 3.606 1.00 0.00 N ATOM 1035 CA LEU A 64 7.978 -1.918 2.365 1.00 0.00 C ATOM 1036 C LEU A 64 9.159 -0.981 2.105 1.00 0.00 C ATOM 1037 O LEU A 64 9.679 -0.927 0.992 1.00 0.00 O ATOM 1038 CB LEU A 64 6.624 -1.206 2.396 1.00 0.00 C ATOM 1039 CG LEU A 64 5.397 -2.104 2.564 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.193 -1.535 1.811 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.709 -3.542 2.144 1.00 0.00 C ATOM 0 H LEU A 64 7.608 -2.347 4.383 1.00 0.00 H new ATOM 0 HA LEU A 64 7.930 -2.611 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.635 -0.483 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.512 -0.641 1.471 1.00 0.00 H new ATOM 0 HG LEU A 64 5.133 -2.127 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.335 -2.193 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.956 -0.544 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.429 -1.462 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.820 -4.160 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.013 -3.558 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.517 -3.934 2.762 1.00 0.00 H new ATOM 1053 N GLU A 65 9.549 -0.268 3.151 1.00 0.00 N ATOM 1054 CA GLU A 65 10.660 0.664 3.050 1.00 0.00 C ATOM 1055 C GLU A 65 11.920 -0.062 2.574 1.00 0.00 C ATOM 1056 O GLU A 65 12.798 0.545 1.964 1.00 0.00 O ATOM 1057 CB GLU A 65 10.905 1.371 4.384 1.00 0.00 C ATOM 1058 CG GLU A 65 9.943 2.547 4.566 1.00 0.00 C ATOM 1059 CD GLU A 65 10.261 3.322 5.846 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.336 2.662 6.905 1.00 0.00 O ATOM 1061 OE2 GLU A 65 10.422 4.557 5.737 1.00 0.00 O ATOM 0 H GLU A 65 9.116 -0.317 4.073 1.00 0.00 H new ATOM 0 HA GLU A 65 10.404 1.426 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.779 0.663 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.934 1.728 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.011 3.214 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.917 2.180 4.604 1.00 0.00 H new ATOM 1068 N GLY A 66 11.968 -1.353 2.872 1.00 0.00 N ATOM 1069 CA GLY A 66 13.106 -2.168 2.482 1.00 0.00 C ATOM 1070 C GLY A 66 13.081 -2.462 0.981 1.00 0.00 C ATOM 1071 O GLY A 66 14.073 -2.247 0.286 1.00 0.00 O ATOM 0 H GLY A 66 11.238 -1.854 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.032 -1.654 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.095 -3.104 3.040 1.00 0.00 H new ATOM 1075 N LEU A 67 11.937 -2.950 0.525 1.00 0.00 N ATOM 1076 CA LEU A 67 11.770 -3.276 -0.881 1.00 0.00 C ATOM 1077 C LEU A 67 11.657 -1.982 -1.690 1.00 0.00 C ATOM 1078 O LEU A 67 12.253 -1.861 -2.760 1.00 0.00 O ATOM 1079 CB LEU A 67 10.587 -4.227 -1.074 1.00 0.00 C ATOM 1080 CG LEU A 67 10.916 -5.721 -1.046 1.00 0.00 C ATOM 1081 CD1 LEU A 67 9.727 -6.535 -0.532 1.00 0.00 C ATOM 1082 CD2 LEU A 67 11.391 -6.204 -2.418 1.00 0.00 C ATOM 0 H LEU A 67 11.117 -3.128 1.104 1.00 0.00 H new ATOM 0 HA LEU A 67 12.643 -3.811 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.851 -4.023 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.114 -3.997 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 67 11.738 -5.876 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.988 -7.593 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.476 -6.214 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.869 -6.379 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.618 -7.269 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.607 -6.033 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.287 -5.655 -2.707 1.00 0.00 H new ATOM 1094 N LEU A 68 10.889 -1.049 -1.149 1.00 0.00 N ATOM 1095 CA LEU A 68 10.690 0.231 -1.808 1.00 0.00 C ATOM 1096 C LEU A 68 11.904 1.127 -1.549 1.00 0.00 C ATOM 1097 O LEU A 68 12.047 2.178 -2.170 1.00 0.00 O ATOM 1098 CB LEU A 68 9.362 0.856 -1.375 1.00 0.00 C ATOM 1099 CG LEU A 68 8.102 0.244 -1.990 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.956 -1.226 -1.592 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.861 1.062 -1.625 1.00 0.00 C ATOM 0 H LEU A 68 10.397 -1.153 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 68 10.616 0.096 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.285 0.783 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.385 1.917 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 68 8.202 0.276 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.052 -1.637 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.823 -1.786 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.888 -1.304 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.979 0.606 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.746 1.084 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.973 2.080 -1.999 1.00 0.00 H new ATOM 1113 N GLY A 69 12.747 0.676 -0.631 1.00 0.00 N ATOM 1114 CA GLY A 69 13.943 1.423 -0.283 1.00 0.00 C ATOM 1115 C GLY A 69 13.636 2.916 -0.143 1.00 0.00 C ATOM 1116 O GLY A 69 14.526 3.752 -0.288 1.00 0.00 O ATOM 0 H GLY A 69 12.625 -0.197 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.354 1.043 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.704 1.275 -1.049 1.00 0.00 H new ATOM 1120 N VAL A 70 12.374 3.204 0.137 1.00 0.00 N ATOM 1121 CA VAL A 70 11.939 4.581 0.298 1.00 0.00 C ATOM 1122 C VAL A 70 10.688 4.616 1.179 1.00 0.00 C ATOM 1123 O VAL A 70 9.948 3.636 1.253 1.00 0.00 O ATOM 1124 CB VAL A 70 11.723 5.226 -1.072 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.974 5.094 -1.943 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.502 4.628 -1.774 1.00 0.00 C ATOM 0 H VAL A 70 11.639 2.507 0.257 1.00 0.00 H new ATOM 0 HA VAL A 70 12.708 5.168 0.801 1.00 0.00 H new ATOM 0 HB VAL A 70 11.533 6.288 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.794 5.561 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.813 5.588 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.208 4.039 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.371 5.104 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.650 3.557 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.614 4.796 -1.165 1.00 0.00 H new ATOM 1136 N ARG A 71 10.490 5.756 1.825 1.00 0.00 N ATOM 1137 CA ARG A 71 9.341 5.932 2.697 1.00 0.00 C ATOM 1138 C ARG A 71 8.095 5.306 2.067 1.00 0.00 C ATOM 1139 O ARG A 71 7.839 5.488 0.878 1.00 0.00 O ATOM 1140 CB ARG A 71 9.077 7.415 2.968 1.00 0.00 C ATOM 1141 CG ARG A 71 10.243 8.048 3.731 1.00 0.00 C ATOM 1142 CD ARG A 71 9.878 9.450 4.224 1.00 0.00 C ATOM 1143 NE ARG A 71 9.282 9.371 5.576 1.00 0.00 N ATOM 1144 CZ ARG A 71 8.717 10.408 6.210 1.00 0.00 C ATOM 1145 NH1 ARG A 71 8.667 11.609 5.617 1.00 0.00 N ATOM 1146 NH2 ARG A 71 8.202 10.244 7.436 1.00 0.00 N ATOM 0 H ARG A 71 11.106 6.567 1.762 1.00 0.00 H new ATOM 0 HA ARG A 71 9.563 5.436 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.927 7.940 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.158 7.525 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.512 7.419 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.119 8.102 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.767 10.080 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.174 9.916 3.534 1.00 0.00 H new ATOM 0 HE ARG A 71 9.302 8.471 6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.059 11.734 4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.237 12.398 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.240 9.330 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.772 11.033 7.918 1.00 0.00 H new ATOM 1160 N VAL A 72 7.354 4.582 2.892 1.00 0.00 N ATOM 1161 CA VAL A 72 6.141 3.929 2.431 1.00 0.00 C ATOM 1162 C VAL A 72 5.015 4.183 3.436 1.00 0.00 C ATOM 1163 O VAL A 72 5.240 4.153 4.645 1.00 0.00 O ATOM 1164 CB VAL A 72 6.406 2.441 2.194 1.00 0.00 C ATOM 1165 CG1 VAL A 72 5.299 1.815 1.343 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.778 2.223 1.554 1.00 0.00 C ATOM 0 H VAL A 72 7.570 4.433 3.878 1.00 0.00 H new ATOM 0 HA VAL A 72 5.823 4.346 1.475 1.00 0.00 H new ATOM 0 HB VAL A 72 6.406 1.943 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.512 0.757 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.342 1.922 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.253 2.319 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.941 1.157 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.819 2.742 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.553 2.615 2.213 1.00 0.00 H new ATOM 1176 N ASP A 73 3.829 4.428 2.898 1.00 0.00 N ATOM 1177 CA ASP A 73 2.669 4.687 3.733 1.00 0.00 C ATOM 1178 C ASP A 73 1.588 3.647 3.433 1.00 0.00 C ATOM 1179 O ASP A 73 0.996 3.654 2.355 1.00 0.00 O ATOM 1180 CB ASP A 73 2.084 6.072 3.449 1.00 0.00 C ATOM 1181 CG ASP A 73 3.116 7.193 3.308 1.00 0.00 C ATOM 1182 OD1 ASP A 73 4.318 6.855 3.257 1.00 0.00 O ATOM 1183 OD2 ASP A 73 2.679 8.363 3.255 1.00 0.00 O ATOM 0 H ASP A 73 3.647 4.453 1.895 1.00 0.00 H new ATOM 0 HA ASP A 73 2.985 4.636 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.497 6.021 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.396 6.331 4.254 1.00 0.00 H new ATOM 1188 N ILE A 74 1.363 2.776 4.406 1.00 0.00 N ATOM 1189 CA ILE A 74 0.363 1.732 4.260 1.00 0.00 C ATOM 1190 C ILE A 74 -0.943 2.187 4.914 1.00 0.00 C ATOM 1191 O ILE A 74 -0.925 2.877 5.932 1.00 0.00 O ATOM 1192 CB ILE A 74 0.893 0.404 4.804 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.131 -0.052 4.029 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.204 -0.663 4.810 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.660 -1.381 4.572 1.00 0.00 C ATOM 0 H ILE A 74 1.856 2.772 5.299 1.00 0.00 H new ATOM 0 HA ILE A 74 0.147 1.556 3.206 1.00 0.00 H new ATOM 0 HB ILE A 74 1.199 0.557 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.884 -0.159 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.909 0.709 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.199 -1.597 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.030 -0.332 5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.564 -0.821 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.540 -1.682 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.929 -1.264 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.889 -2.145 4.478 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.046 1.783 4.301 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.359 2.140 4.811 1.00 0.00 C ATOM 1209 C VAL A 75 -4.139 0.866 5.139 1.00 0.00 C ATOM 1210 O VAL A 75 -3.998 -0.146 4.454 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.082 3.042 3.808 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.600 2.884 3.924 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.668 4.503 3.986 1.00 0.00 C ATOM 0 H VAL A 75 -2.057 1.212 3.456 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.267 2.711 5.735 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.788 2.731 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.090 3.536 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.874 1.848 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.918 3.155 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.197 5.122 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.918 4.832 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.594 4.598 3.830 1.00 0.00 H new ATOM 1223 N SER A 76 -4.944 0.956 6.187 1.00 0.00 N ATOM 1224 CA SER A 76 -5.746 -0.178 6.615 1.00 0.00 C ATOM 1225 C SER A 76 -7.230 0.114 6.383 1.00 0.00 C ATOM 1226 O SER A 76 -7.763 1.092 6.904 1.00 0.00 O ATOM 1227 CB SER A 76 -5.494 -0.506 8.088 1.00 0.00 C ATOM 1228 OG SER A 76 -6.202 0.371 8.959 1.00 0.00 O ATOM 0 H SER A 76 -5.058 1.797 6.753 1.00 0.00 H new ATOM 0 HA SER A 76 -5.456 -1.046 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.794 -1.535 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.426 -0.440 8.297 1.00 0.00 H new ATOM 0 HG SER A 76 -6.016 0.128 9.890 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.855 -0.753 5.599 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.266 -0.601 5.291 1.00 0.00 C ATOM 1236 C GLU A 77 -10.044 -0.201 6.547 1.00 0.00 C ATOM 1237 O GLU A 77 -10.906 0.674 6.495 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.835 -1.883 4.679 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.715 -1.863 3.154 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.018 -2.317 2.495 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.758 -3.072 3.162 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.246 -1.899 1.339 1.00 0.00 O ATOM 0 H GLU A 77 -7.409 -1.563 5.168 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.373 0.194 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.304 -2.747 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.881 -1.993 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.465 -0.856 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.899 -2.515 2.841 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.710 -0.862 7.646 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.366 -0.587 8.913 1.00 0.00 C ATOM 1251 C ARG A 78 -10.267 0.903 9.249 1.00 0.00 C ATOM 1252 O ARG A 78 -11.217 1.491 9.762 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.739 -1.401 10.046 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.604 -2.615 10.393 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.674 -2.824 11.907 1.00 0.00 C ATOM 1256 NE ARG A 78 -12.053 -2.587 12.387 1.00 0.00 N ATOM 1257 CZ ARG A 78 -12.517 -1.394 12.782 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -11.715 -0.321 12.756 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -13.784 -1.273 13.203 1.00 0.00 N ATOM 0 H ARG A 78 -8.994 -1.587 7.685 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.413 -0.872 8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.743 -1.732 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.619 -0.771 10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.609 -2.476 9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.194 -3.506 9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.362 -3.838 12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.984 -2.145 12.408 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.691 -3.382 12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.751 -0.412 12.435 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.068 0.587 13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.395 -2.089 13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.137 -0.364 13.504 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.108 1.469 8.946 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.872 2.878 9.210 1.00 0.00 C ATOM 1275 C GLY A 79 -9.637 3.757 8.218 1.00 0.00 C ATOM 1276 O GLY A 79 -10.170 4.801 8.591 1.00 0.00 O ATOM 0 H GLY A 79 -8.322 0.977 8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.181 3.118 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.805 3.091 9.142 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.666 3.302 6.974 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.357 4.034 5.926 1.00 0.00 C ATOM 1282 C LEU A 80 -11.826 4.209 6.315 1.00 0.00 C ATOM 1283 O LEU A 80 -12.418 3.325 6.933 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.156 3.348 4.573 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.807 3.589 3.892 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.992 3.911 2.408 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -8.012 4.675 4.620 1.00 0.00 C ATOM 0 H LEU A 80 -9.222 2.436 6.668 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.935 5.033 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.285 2.274 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.945 3.680 3.899 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.225 2.669 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.018 4.078 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.489 3.076 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.601 4.809 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.058 4.827 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.578 5.606 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.833 4.366 5.650 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.373 5.355 5.937 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.762 5.657 6.238 1.00 0.00 C ATOM 1301 C ALA A 81 -14.669 4.831 5.324 1.00 0.00 C ATOM 1302 O ALA A 81 -14.207 4.259 4.338 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.001 7.161 6.092 1.00 0.00 C ATOM 0 H ALA A 81 -11.879 6.086 5.425 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.999 5.388 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.043 7.387 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.354 7.701 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.776 7.468 5.070 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.977 4.795 5.694 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.953 4.048 4.918 1.00 0.00 C ATOM 1311 C PRO A 82 -17.304 4.784 3.623 1.00 0.00 C ATOM 1312 O PRO A 82 -17.389 4.171 2.560 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.146 3.878 5.846 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.981 4.927 6.933 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.560 5.460 6.855 1.00 0.00 C ATOM 0 HA PRO A 82 -16.577 3.078 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.083 4.018 5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.170 2.875 6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.700 5.735 6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.173 4.493 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.550 6.544 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.002 5.233 7.763 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.497 6.088 3.755 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.836 6.914 2.609 1.00 0.00 C ATOM 1325 C ARG A 83 -16.590 7.188 1.764 1.00 0.00 C ATOM 1326 O ARG A 83 -16.692 7.443 0.566 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.446 8.246 3.051 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.413 9.107 3.780 1.00 0.00 C ATOM 1329 CD ARG A 83 -18.091 10.244 4.549 1.00 0.00 C ATOM 1330 NE ARG A 83 -17.450 10.412 5.872 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.700 9.632 6.932 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.578 8.625 6.831 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -17.071 9.859 8.094 1.00 0.00 N ATOM 0 H ARG A 83 -17.425 6.593 4.638 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.570 6.370 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.824 8.783 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.297 8.061 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.840 8.488 4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.706 9.521 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.020 11.171 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -19.152 10.027 4.674 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.776 11.169 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.056 8.452 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.768 8.031 7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.402 10.625 8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.261 9.265 8.901 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.442 7.125 2.423 1.00 0.00 N ATOM 1348 CA LEU A 84 -14.178 7.362 1.748 1.00 0.00 C ATOM 1349 C LEU A 84 -13.725 6.075 1.055 1.00 0.00 C ATOM 1350 O LEU A 84 -13.116 6.121 -0.012 1.00 0.00 O ATOM 1351 CB LEU A 84 -13.147 7.930 2.725 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.406 9.187 2.263 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -13.287 10.429 2.416 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -11.071 9.337 2.995 1.00 0.00 C ATOM 0 H LEU A 84 -15.361 6.913 3.417 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.297 8.118 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.652 8.155 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.410 7.155 2.936 1.00 0.00 H new ATOM 0 HG LEU A 84 -12.180 9.081 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.737 11.309 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -14.188 10.313 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.564 10.552 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.565 10.238 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.251 9.412 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.445 8.468 2.792 1.00 0.00 H new ATOM 1366 N ARG A 85 -14.040 4.956 1.691 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.673 3.659 1.150 1.00 0.00 C ATOM 1368 C ARG A 85 -14.167 3.526 -0.292 1.00 0.00 C ATOM 1369 O ARG A 85 -13.401 3.161 -1.183 1.00 0.00 O ATOM 1370 CB ARG A 85 -14.264 2.524 1.990 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.937 1.161 1.377 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.914 0.091 1.869 1.00 0.00 C ATOM 1373 NE ARG A 85 -15.048 -0.977 0.852 1.00 0.00 N ATOM 1374 CZ ARG A 85 -16.010 -1.910 0.866 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.927 -1.913 1.843 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -16.055 -2.840 -0.098 1.00 0.00 N ATOM 0 H ARG A 85 -14.546 4.921 2.576 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.586 3.586 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.870 2.574 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.345 2.645 2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.981 1.227 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.918 0.876 1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.560 -0.332 2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.887 0.539 2.068 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.366 -1.004 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.893 -1.205 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.659 -2.623 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.357 -2.838 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.787 -3.550 -0.088 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.443 3.831 -0.478 1.00 0.00 N ATOM 1391 CA GLU A 86 -16.048 3.751 -1.796 1.00 0.00 C ATOM 1392 C GLU A 86 -15.247 4.585 -2.799 1.00 0.00 C ATOM 1393 O GLU A 86 -15.031 4.160 -3.933 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.511 4.197 -1.757 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.332 3.302 -0.827 1.00 0.00 C ATOM 1396 CD GLU A 86 -18.538 1.916 -1.441 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.387 1.820 -2.354 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -17.842 0.983 -0.984 1.00 0.00 O ATOM 0 H GLU A 86 -16.075 4.134 0.263 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.029 2.710 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.571 5.231 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.931 4.166 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.825 3.207 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.299 3.765 -0.632 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.830 5.758 -2.345 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.058 6.655 -3.188 1.00 0.00 C ATOM 1407 C GLN A 87 -12.642 6.111 -3.385 1.00 0.00 C ATOM 1408 O GLN A 87 -12.067 6.243 -4.465 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.026 8.067 -2.600 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.440 9.065 -3.601 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.740 10.505 -3.181 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.834 10.839 -2.756 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -12.712 11.336 -3.322 1.00 0.00 N ATOM 0 H GLN A 87 -15.012 6.108 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.542 6.713 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.035 8.373 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.431 8.071 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.362 8.921 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.855 8.878 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.823 10.991 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.812 12.319 -3.068 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.120 5.511 -2.326 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.782 4.946 -2.369 1.00 0.00 C ATOM 1424 C VAL A 88 -10.738 3.827 -3.412 1.00 0.00 C ATOM 1425 O VAL A 88 -9.791 3.736 -4.191 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.365 4.478 -0.973 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.917 3.986 -0.969 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.570 5.588 0.060 1.00 0.00 C ATOM 0 H VAL A 88 -12.600 5.404 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.059 5.703 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.004 3.639 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.646 3.659 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.815 3.151 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.256 4.796 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.266 5.230 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.968 6.455 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.622 5.871 0.086 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.776 3.004 -3.393 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.869 1.895 -4.327 1.00 0.00 C ATOM 1440 C LEU A 89 -11.778 2.430 -5.758 1.00 0.00 C ATOM 1441 O LEU A 89 -11.073 1.864 -6.592 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.130 1.071 -4.058 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.246 0.461 -2.660 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.704 0.150 -2.317 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.350 -0.772 -2.523 1.00 0.00 C ATOM 0 H LEU A 89 -12.560 3.083 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.033 1.210 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.999 1.707 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.176 0.265 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.894 1.197 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.758 -0.283 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.289 1.069 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.105 -0.559 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.452 -1.186 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.648 -1.521 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.312 -0.488 -2.695 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.501 3.514 -5.997 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.511 4.131 -7.313 1.00 0.00 C ATOM 1459 C ARG A 90 -11.081 4.424 -7.772 1.00 0.00 C ATOM 1460 O ARG A 90 -10.819 4.524 -8.970 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.313 5.434 -7.303 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.795 5.167 -7.577 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.682 6.103 -6.753 1.00 0.00 C ATOM 1464 NE ARG A 90 -17.016 6.220 -7.382 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.869 7.227 -7.152 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.533 8.211 -6.307 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -19.059 7.251 -7.768 1.00 0.00 N ATOM 0 H ARG A 90 -13.084 3.981 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.982 3.432 -8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.201 5.927 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.917 6.115 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.003 5.304 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.032 4.131 -7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.782 5.721 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.218 7.087 -6.680 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.304 5.488 -8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.627 8.194 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.183 8.977 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.315 6.503 -8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.709 8.018 -7.593 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.195 4.553 -6.796 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.799 4.832 -7.085 1.00 0.00 C ATOM 1483 C GLU A 91 -7.960 3.562 -6.932 1.00 0.00 C ATOM 1484 O GLU A 91 -7.035 3.327 -7.708 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.266 5.952 -6.189 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.126 7.212 -6.316 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.441 8.256 -7.200 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.130 7.903 -8.358 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -8.245 9.384 -6.698 1.00 0.00 O ATOM 0 H GLU A 91 -10.417 4.469 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.724 5.171 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.255 5.618 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.236 6.181 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.097 6.953 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.310 7.632 -5.327 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.314 2.776 -5.926 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.606 1.535 -5.661 1.00 0.00 C ATOM 1498 C ALA A 92 -7.561 0.695 -6.939 1.00 0.00 C ATOM 1499 O ALA A 92 -8.600 0.387 -7.520 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.281 0.799 -4.502 1.00 0.00 C ATOM 0 H ALA A 92 -9.082 2.974 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.577 1.737 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.750 -0.132 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.260 1.426 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.315 0.577 -4.765 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.346 0.349 -7.339 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.153 -0.449 -8.538 1.00 0.00 C ATOM 1508 C ILE A 93 -5.400 -1.731 -8.176 1.00 0.00 C ATOM 1509 O ILE A 93 -4.326 -1.677 -7.579 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.469 0.378 -9.628 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.068 0.810 -9.191 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.336 1.572 -10.035 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.000 -0.110 -9.788 1.00 0.00 C ATOM 0 H ILE A 93 -5.486 0.606 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.115 -0.749 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.351 -0.251 -10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.885 1.837 -9.506 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.001 0.793 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.827 2.144 -10.811 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.292 1.214 -10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.507 2.210 -9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.013 0.219 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.171 -1.133 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.054 -0.072 -10.876 1.00 0.00 H new ATOM 1525 N PRO A 94 -6.009 -2.884 -8.562 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.408 -4.177 -8.284 1.00 0.00 C ATOM 1527 C PRO A 94 -4.228 -4.446 -9.221 1.00 0.00 C ATOM 1528 O PRO A 94 -4.411 -4.599 -10.428 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.538 -5.180 -8.450 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.609 -4.471 -9.262 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.281 -2.987 -9.271 1.00 0.00 C ATOM 0 HA PRO A 94 -4.984 -4.237 -7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.191 -6.078 -8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.926 -5.494 -7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.638 -4.862 -10.279 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.594 -4.642 -8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.199 -2.606 -10.289 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.059 -2.407 -8.775 1.00 0.00 H new ATOM 1539 N LEU A 95 -3.043 -4.495 -8.629 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.834 -4.743 -9.396 1.00 0.00 C ATOM 1541 C LEU A 95 -1.822 -6.199 -9.865 1.00 0.00 C ATOM 1542 O LEU A 95 -1.781 -7.118 -9.048 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.597 -4.347 -8.587 1.00 0.00 C ATOM 1544 CG LEU A 95 0.747 -4.823 -9.142 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.707 -3.647 -9.338 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.351 -5.913 -8.254 1.00 0.00 C ATOM 0 H LEU A 95 -2.895 -4.367 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.815 -4.120 -10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.571 -3.260 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.709 -4.737 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 95 0.574 -5.265 -10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.655 -4.013 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.272 -2.935 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.879 -3.154 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.306 -6.234 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.507 -5.519 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.671 -6.763 -8.208 1.00 0.00 H new TER 1558 LEU A 95